(Z)-2-(1,3-benzoxazol-2-yl)-3-(3-hydroxyanilino)prop-2-enal
Formula:C16H12N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-(1,3-benzoxazol-2-yl)-3-(3-hydroxyanilino)prop-2-enal is a drug-like molecule.
| MolName | (Z)-2-(1,3-benzoxazol-2-yl)-3-(3-hydroxyanilino)prop-2-enal |
| MolecularFormula | C16H12N2O3 |
| Smiles | Oc1cccc(N/C=C(\C=O)/c2nc(cccc3)c3o2)c1 |
| InChI | InChI=1S/C16H12N2O3/c19-10-11(9-17-12-4-3-5-13(20)8-12)16-18-14-6-1-2-7-15(14)21-16/h1-10,17,20H |
| InChIK | IIOOPZAHVNAQQK-UHFFFAOYSA-N |
| TotalMolweight | 280.282 |
| Molweight | 280.282 |
| MonoisotopicMass | 280.084793 |
| CLogP | 1.6743 |
| CLogS | -2.968 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 218.13 |
| Relative PSA | 0.28735 |
| PolarSurfaceArea | 75.36 |
| Druglikeness | -2.1674 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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